2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol

C10H17BrO5 — CID 129048700

IUPAC2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol
SMILESOCC1(C(O)C(Br)C2(CO)CCO2)CCO1
InChIInChI=1S/C10H17BrO5/c11-7(9(5-12)1-3-15-9)8(14)10(6-13)2-4-16-10/h7-8,12-14H,1-6H2
InChIKeyBKTHTEVLTVOUHB-UHFFFAOYSA-N
MW297.15 g/mol
LogP-0.59
Rot. Bonds5

About 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol

2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol (PubChem CID 129048700) has the molecular formula C10H17BrO5 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol.

Molecular Properties

Compound Name2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol
PubChem CID129048700
Molecular FormulaC10H17BrO5
Molecular Weight297.15 g/mol
Exact Mass296.03
IUPAC Name2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol
SMILESOCC1(C(O)C(Br)C2(CO)CCO2)CCO1
InChIInChI=1S/C10H17BrO5/c11-7(9(5-12)1-3-15-9)8(14)10(6-13)2-4-16-10/h7-8,12-14H,1-6H2
InChIKeyBKTHTEVLTVOUHB-UHFFFAOYSA-N
XLogP-0.59
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-propan-2-yloxolan-2-yl)methanol
CID 130663266
[(2S)-2-propan-2-yloxiran-2-yl]methanol
CID 130635963
1-(2-propyloxetan-2-yl)ethanol
CID 68634857
3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
CID 71381727
2-[2-(hydroxymethyl)oxetan-2-yl]-2-methylpropane-1,3-diol
CID 66692598
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol
CID 86098194
(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol
CID 15162522
[2-(1-aminobutyl)-1,4-dioxan-2-yl]methanol
CID 57290104
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2,3,3-tetrabromooxolane
CID 175344641
1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol
CID 68886926
2-(bromomethyl)-2-fluorooxetane
CID 22160837
[2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol
CID 14557944

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol?
The IUPAC name of 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol (CID 129048700) is 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol.
What is the SMILES notation for 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol?
The canonical SMILES for 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol is OCC1(C(O)C(Br)C2(CO)CCO2)CCO1.
What is the InChIKey of 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol?
The InChIKey is BKTHTEVLTVOUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO5/c11-7(9(5-12)1-3-15-9)8(14)10(6-13)2-4-16-10/h7-8,12-14H,1-6H2.
What are the key properties of 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol?
2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol has a molecular weight of 297.15 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol is sourced from PubChem (CID 129048700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).